SCHEMBL15720866

SCHEMBL15720866

CC(C)OC(=O)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 1/20 0.52
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA7 P43166 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA14 Q9ULX7 3/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC4 P56524 1/20 0.41
▸ VNN1 O95497 1/20 0.41
▸ PDCD1 Q15116 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15532493 0.83 KDM4E (0.55) JMJD6NPC1RAB9AVNN1HTT
SCHEMBL30153493 0.83 KDM4E (0.55) JMJD6NPC1RAB9AVNN1HTT
SCHEMBL28544252 0.80 DDR1 (0.42) JMJD6CA12CA1CA2CA9
SCHEMBL3114077 0.80 JMJD6 (0.56) JMJD6CA12CA1CA2CA7
SCHEMBL16689607 0.80 DDR1 (0.44) MEN1KMT2AVNN1
SCHEMBL30252196 0.80 VNN1 (0.43) MEN1KMT2AVNN1
SCHEMBL10772838 0.79 JMJD6 (0.76) JMJD6CA12CA1CA2CA7
SCHEMBL15720401 0.79 SYK (0.54) JMJD6CA12CA1CA2CA7
SCHEMBL1974937 0.78 JMJD6 (0.57) JMJD6CA12CA1CA2CA7
SCHEMBL15253922 0.78 JMJD6 (0.57) JMJD6CA12CA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104781236-B The method for preparing 2- trifluoromethyls isonicotinic acid and ester 霍夫曼-拉罗奇有限公司 2018-04-24 — — CN disclosed
EP-2920150-B1 PROCESS FOR THE PREPARATION OF 2-TRIFLUOROMETHYL ISONICOTINIC ACID AND ESTERS HOFFMANN LA ROCHE (CH) 2017-07-19 — — EP disclosed
US-9481650-B2 Process for the preparation of 2-trifluoromethyl isonicotinic acid and esters HOFFMANN LA ROCHE INC. (US) 2016-11-01 — — US disclosed
US-20150291530-A1 PROCESS FOR THE PREPARATION OF 2-TRIFLUOROMETHYL ISONICOTINIC ACID AND ESTERS HOFFMANN-LA ROCHE INC. (US) 2015-10-15 — — US disclosed
EP-2920150-A1 PROCESS FOR THE PREPARATION OF 2-TRIFLUOROMETHYL ISONICOTINIC ACID AND ESTERS F. Hoffmann-La Roche AG (CH) 2015-09-23 — — EP disclosed
CN-104781236-A Process for the preparation of 2-trifluoromethyl isonicotinic acid and esters HOFFMANN LA ROCHE 2015-07-15 — — CN disclosed
WO-2014076127-A1 PROCESS FOR THE PREPARATION OF 2-TRIFLUOROMETHYL ISONICOTINIC ACID AND ESTERS F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150291530-A1 PROCESS FOR THE PREPARATION OF 2-TRIFLUOROMETHYL ISONICOTINIC ACID AND ESTERS TAAR1, TAAR5, TSHR JMJD6 1617/4885CA12 1133/4885CA1 766/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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